3-chloranyl-4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-methyl-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-3-20(28)27-12-10-26(11-13-27)18-8-6-17(7-9-18)24-22(30)25-21(29)16-5-4-15(2)19(23)14-16/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,29,30)